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一种新型的阳离子钴(III)席夫碱配合物的制备、晶体结构、Hirshfeld 表面分析、抗菌活性和分子对接。

A novel cationic cobalt(III) Schiff base complex: Preparation, crystal structure, Hirshfeld surface analysis, antimicrobial activities and molecular docking.

机构信息

Department of Chemistry, Faculty of Science, Shahid Bahonar University of Kerman, Kerman, Iran.

Department of Crystallography, Institute of Chemistry, University of Silesia, ul. Szkolna 9, 40-006 Katowice, Poland.

出版信息

Microb Pathog. 2017 Dec;113:160-167. doi: 10.1016/j.micpath.2017.10.034. Epub 2017 Oct 23.

Abstract

A novel Co(III) complex, [Co(L)(Imi)]Cl incorporating 2-((3-methoxy-2-oxidobenzylidene)amino)-4-methylphenolate (L), as a dibasic deprotonated Schiff base ligand and imidazole (Imi) was synthesized and fully characterized using physicochemical and spectroscopic techniques including elemental analysis, conductance measurement, FT-IR, UV-Vis and X-ray single crystal diffraction. As the conductivity data showed, the synthesized complex had a 1:1 ionic nature. The structure of the complex was found to be distorted octahedral in which, O/N donor atoms of the Schiff base ligand and N atoms of three imidazole groups were involved. Antimicrobial activity of the Co(III) complex as well as the its parent Schiff base ligand against two Gram-positive bacteria (S. Aureus and M. luteus), two Gram-negative bacteria (E. coli and P. aeruginosa) and a fungus (C. Albicans) was studied. Moreover, the antimicrobial activity of [Co(L)(Imi)]Cl was investigated using molecular docking of the complex with GlcN-6-P synthase.

摘要

一种新型的 Co(III) 配合物,[Co(L)(Imi)]Cl,其中包含 2-((3-甲氧基-2-氧代苄叉基)氨基)-4-甲基苯酚(L),作为双配位去质子化的希夫碱配体和咪唑(Imi),通过物理化学和光谱技术(包括元素分析、电导率测量、FT-IR、UV-Vis 和 X 射线单晶衍射)进行了全面的表征。根据电导率数据,合成的配合物具有 1:1 的离子性质。该配合物的结构被发现为扭曲的八面体,其中希夫碱配体的 O/N 供体原子和三个咪唑基团的 N 原子参与配位。研究了 Co(III) 配合物及其母体希夫碱配体对两种革兰氏阳性菌(金黄色葡萄球菌和藤黄微球菌)、两种革兰氏阴性菌(大肠杆菌和铜绿假单胞菌)和一种真菌(白色念珠菌)的抗菌活性。此外,还通过将配合物与 GlcN-6-P 合酶进行分子对接,研究了[Co(L)(Imi)]Cl 的抗菌活性。

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